SCHEMBL9832657

SCHEMBL9832657

CCOC(=O)CCN(CC(=O)O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 10/20 0.46
MTNR1B P49286 10/20 0.46
PPARG P37231 1/20 0.45
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9349279 0.91 MTNR1A (0.53) SMN1; SMN2MTNR1AMTNR1BPPARGALOX15
SCHEMBL9830144 0.87 PLA2G2A (0.46) SMN1; SMN2PPARGALOX15HTTKDM4E
SCHEMBL9829514 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HTTMAPT
SCHEMBL10407520 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAPT
SCHEMBL9832157 0.84 SMN1; SMN2 (0.60) SMN1; SMN2PPARG
SCHEMBL10407247 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPT
SCHEMBL9829491 0.84 ALDH1A1 (0.43) SMN1; SMN2PPARGHTTKDM4E
SCHEMBL10408081 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MTNR1AMTNR1BPPARGKDM4E
SCHEMBL10394460 0.83 MTNR1A (0.47) SMN1; SMN2MTNR1AMTNR1BALOX15HTT
SCHEMBL342248 0.83 LMNA (0.54) MTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed